EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77848 - 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion

ChEBI IDCHEBI:77848
ChEBI Name3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion
Stars
ASCII Name3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion
DefinitionAn aromatic amino-acid zwitterion arising from deprotonation of the carboxy and 3-hydroxy groups asell as protonation of the amino group of the cationic 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 May 2014
SubmitterKAX
DownloadsMolfile
FormulaC8H10N2O4
Net Charge0
Average Mass198.178
Monoisotopic Mass198.06406
SMILES[NH3+][C@@H](C[n+]1ccc(O)c([O-])c1)C(=O)[O-]
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5H,3,9H2,(H2,12,13,14)/t5-/m0/s1
InChIKeyPWDJFVLCTVHYOX-YFKPBYRVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848) is a aromatic amino-acid zwitterion (CHEBI:76042)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848) is conjugate acid of 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848) is conjugate base of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993)
Incoming Relation(s)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993) is conjugate acid of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848)
3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344) is conjugate base of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848)
IUPAC Name 
(2S)-2-azaniumyl-3-(4-hydroxy-3-oxidopyridinium-1-yl)propanoate
UniProt Name  Source
3-(3,4-dihydroxypyridin-1-yl)-L-alanineUniProt